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- ChemComp-V75: (2~{S},3~{S},4~{S},5~{S})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carb... -

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Basic information

EntryDatabase: PDB chemical components / ID: V75
NameName: (2~{S},3~{S},4~{S},5~{S})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid

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Chemical information

Composition
Formula: C10H14O8 / Number of atoms: 32 / Formula weight: 262.213 / Formal charge: 0
Others

7o0w

Type: non-polymer / PDB classification: HETAIN / Three letter code: V75 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7O0W
History
Create componentApr 21, 2021
Initial releaseMar 2, 2022
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC(=O)O[CH]1CO[CH]([CH](O)[CH]1OC(C)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(=O)OC1COC(C(C1OC(=O)C)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385CC(=O)O[C@H]1CO[C@@H]([C@@H](O)[C@@H]1OC(C)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C10H14O8/c1-4(11)17-6-3-16-9(10(14)15)7(13)8(6)18-5(2)12/h6-9,13H,3H2,1-2H3,(H,14,15)/t6-,7-,8+,9-/m0/s1

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InChIKey

InChI 1.03PUWANSDFPUWGOX-MAUMQABQSA-N

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PDB entries

Showing all 4 items

PDB-7o0u:
Cryo-EM structure (model_1a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.4 A

PDB-7o0v:
Cryo-EM structure (model_2a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.5 A

PDB-7o0w:
Cryo-EM structure of the RC-dLH complex (model_1b) from Gemmatimonas phototrophica at 2.47 A

PDB-7o0x:
Cryo-EM structure (model_2b) of the RC-dLH complex from Gemmatimonas phototrophica at 2.44 A

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